3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol

C13H15IN2O3 — CID 169101637

IUPAC3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
SMILESCOc1c(O)ccc2c1c(I)nn2C1CCCCO1
InChIInChI=1S/C13H15IN2O3/c1-18-12-9(17)6-5-8-11(12)13(14)15-16(8)10-4-2-3-7-19-10/h5-6,10,17H,2-4,7H2,1H3
InChIKeyOGHXJLZMXLDSID-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.05
Rot. Bonds2

About 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol

3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol (PubChem CID 169101637) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol.

Molecular Properties

Compound Name3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
PubChem CID169101637
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
SMILESCOc1c(O)ccc2c1c(I)nn2C1CCCCO1
InChIInChI=1S/C13H15IN2O3/c1-18-12-9(17)6-5-8-11(12)13(14)15-16(8)10-4-2-3-7-19-10/h5-6,10,17H,2-4,7H2,1H3
InChIKeyOGHXJLZMXLDSID-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-iodo-1-(oxan-2-yl)indazol-5-ol
CID 169101675
ethyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate
CID 165127694
4-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 121228915
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
CID 166551429
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
methyl 3-bromo-8-fluoro-6-(oxan-2-yl)thieno[2,3-e]indazole-2-carboxylate
CID 168931532
3-[[2-iodo-9-(oxan-2-yl)purin-6-yl]amino]-2-methoxyphenol
CID 146574778
6-(2,6-difluoro-3,5-dimethoxyphenyl)-3-iodo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 86722838
3-iodo-6-nitro-1-(oxan-2-yl)indazole
CID 23577850
4-methoxy-1-(oxan-2-yl)benzimidazole-5-carbaldehyde
CID 86694690

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol?
The IUPAC name of 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol (CID 169101637) is 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol.
What is the SMILES notation for 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol?
The canonical SMILES for 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol is COc1c(O)ccc2c1c(I)nn2C1CCCCO1.
What is the InChIKey of 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol?
The InChIKey is OGHXJLZMXLDSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c1-18-12-9(17)6-5-8-11(12)13(14)15-16(8)10-4-2-3-7-19-10/h5-6,10,17H,2-4,7H2,1H3.
What are the key properties of 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol?
3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol has a molecular weight of 374.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol is sourced from PubChem (CID 169101637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).